RefChem:365462
TL;DR: RefChem:365462 (CAS 63148-73-2) is a chemical compound with molecular formula C41H54N4O4S3 and molecular weight 762.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylethanamine;4-[2-[4-(1-heptyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)but-2-enylidene]benzo[f][1,3]benzothiazol-3-yl]butane-2-sulfonic acid
Also Known As: Naphtho[2,3-d]thiazole-3(2H)-propanesulfonic acid, 2-[4-(1-heptyl-5-oxo-3-phenyl-2-thioxo-4-imidazolidinylidene)-2-buten-1-ylidene]-.alpha.-methyl-, compd. with N,N-diethylethanamine (1:1), 4-{2-[4-(1-Heptyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)but-2-en-1-ylidene]naphtho[2,3-d][1,3]thiazol-3(2H)-yl}butane-2-sulfonic acid--N,N-diethylethanamine (1/1), N,N-diethylethanamine;4-[2-[4-(1-heptyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)but-2-enylidene]benzo[f][1,3]benzothiazol-3-yl]butane-2-sulfonic acid, Naphtho(2,3-d)thiazole-3(2H)-propanesulfonic acid, 2-(4-(1-heptyl-5-oxo-3-phenyl-2-thioxo-4-imidazolidinylidene)-2-buten-1-ylidene)-alpha-methyl-, compd. with N,N-diethylethanamine (1:1), Naphtho[2,3-d]thiazole-3(2H)-propanesulfonic acid, 2-[4-(1-heptyl-3-phenyl-5-oxo-2-thioxo-4-imidazolidinylidene)-2-butenylidene]-.alpha.-methyl-, compd. with N,N-diethylethanamine (1:1)
| Molecular Formula | C41H54N4O4S3 |
|---|---|
| Molecular Weight | 762.33 g/mol |
| LogP | 9.652 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 762.33075 |
| Heavy Atoms | 52 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 63148-73-2 |
|---|---|
| SMILES | CCCCCCCN1C(=O)C(=CC=CC=C2N(C3=CC4=CC=CC=C4C=C3S2)CCC(C)S(=O)(=O)O)N(C1=S)C5=CC=CC=C5.CCN(CC)CC |
| InChIKey | DHYVYSMYDYOFJO-UHFFFAOYSA-N |
Product Overview
RefChem:365462 (CAS 63148-73-2), with molecular formula C41H54N4O4S3 and molecular weight 762.33 g/mol. IUPAC: N,N-diethylethanamine;4-[2-[4-(1-heptyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)but-2-enylidene]benzo[f][1,3]benzothiazol-3-yl]butane-2-sulfonic acid.
Chemical Property Profile of RefChem:365462
Property Insights of RefChem:365462
The XLogP value of 9.652 indicates that RefChem:365462 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting RefChem:365462 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:365462 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:365462?
The CAS number of RefChem:365462 is 63148-73-2.
What is the molecular formula of RefChem:365462?
The molecular formula of RefChem:365462 is C41H54N4O4S3.
What is the molecular weight of RefChem:365462?
The molecular weight of RefChem:365462 is 762.33 g/mol.
Where can I buy RefChem:365462?
You can request a quote for RefChem:365462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:365462?
Yes, KEHONG BIO provides custom synthesis services for RefChem:365462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.